(2R)-2-[(E)-(Methylimino)(sulfanyl)methyl]-2-(3-pyridinyl)tetrahydro-2H-thiopyranium-1-olate
[CAS# 89544-10-5]

Identification

• Name: (2R)-2-[(E)-(Methylimino)(sulfanyl)methyl]-2-(3-pyridinyl)tetrahydro-2H-thiopyranium-1-olate
• Synonyms: (R)-1-Oxo-2-pyridin-3-yl-hexahydro-1λ*4*-thiopyran-2-carbothioic acid methylamide; (R)-1-Oxo-2-pyridin-3-yl-tetrahydro-thiopyran-2-carbothioic acid methylamide; 2H-Thiopyran-2-carbothioamide, tetrahydro-N-methyl-2-(3-pyridinyl)-, 1-oxide
• Molecular Formula: C₁₂H₁₆N₂OS₂
• Molecular Weight: 268.40
• CAS Registry Number: 89544-10-5
• SMILES: C/N=C(\[C@@]1(CCCC[S+]1[O-])C2=CN=CC=C2)/S
• InChI: 1S/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)/t12-,17?/m1/s1
• InChIKey: GKEMHVLBZNVZOI-MTATWXBHSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)